Dataset: Assessing MP2 frozen natural orbitals in relativistic correlated electronic structure calculations
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This dataset collects the unprocessed (= outputs from calculations) results discussed in the paper titled "Assessing MP2 frozen natural orbitals in relativistic correlated electronic structure calculations", by Xiang Yuan, Luvas Visscher and Andre Severo Pereira Gomes. It also contains the figures used in the manuscript.
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Zenodo创建时间：
2022-02-02
